N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide

C9H14BrN3O2S — CID 114295890

IUPACN-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cnc[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-11-6-12-9/h5-8,13H,1-4H2,(H,11,12)
InChIKeyIKIULXCTAJMITD-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.39
Rot. Bonds3

About N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide

N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide (PubChem CID 114295890) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
PubChem CID114295890
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cnc[nH]1
InChIInChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-11-6-12-9/h5-8,13H,1-4H2,(H,11,12)
InChIKeyIKIULXCTAJMITD-UHFFFAOYSA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 64724992
N-(2,3-dimethylcyclopentyl)-1H-imidazole-5-sulfonamide
CID 64923633
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-imidazole-5-sulfonamide
CID 126934672
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-5-sulfonamide
CID 114297922
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide
CID 97351035
N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120721030
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
CID 116650187

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide (CID 114295890) is N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide is O=S(=O)(NC1CCC(Br)CC1)c1cnc[nH]1.
What is the InChIKey of N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide?
The InChIKey is IKIULXCTAJMITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c10-7-1-3-8(4-2-7)13-16(14,15)9-5-11-6-12-9/h5-8,13H,1-4H2,(H,11,12).
What are the key properties of N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide?
N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114295890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).